[4-[(Z)-1-cyano-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl] 5-methyl-2-phenyltriazole-4-carboxylate

Formula:C26H17N4O2F3 Mutagenic:none Tumorigenic:high Reproductive Effective:high [4-[(Z)-1-cyano-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl] 5-methyl-2-phenyltriazole-4-carboxylate is not a drug-like molecule.

MolName	[4-[(Z)-1-cyano-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl] 5-methyl-2-phenyltriazole-4-carboxylate
MolecularFormula	C26H17N4O2F3
Smiles	Cc1nn(-c2ccccc2)nc1C(Oc(cc1)ccc1/C(/C#N)=C/c1ccc(C(F)(F)F)cc1)=O
InChI	InChI=1S/C26H17F3N4O2/c1-17-24(32-33(31-17)22-5-3-2-4-6-22)25(34)35-23-13-9-19(10-14-23)20(16-30)15-18-7-11-21(12-8-18)26(27,28)29/h2-15H,1H3
InChIK	NVCNRAXYAQUTMW-UHFFFAOYSA-N
TotalMolweight	474.441
Molweight	474.441
MonoisotopicMass	474.13036
CLogP	5.3002
CLogS	-5.794
H Acceptors	6
TotalSurfaceArea	355.15
Relative PSA	0.18418
PolarSurfaceArea	80.8
Druglikeness	-8.4633
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	35
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	8
Aromatic Nitrogens	3
StereoCon

Click to Load Molecule:

1 - [4-[(Z)-1-cyano-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl] 5-methyl-2-phenyltriazole-4-carboxylate | 2 - [4-[(Z)-1-cyano-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl] 5-methyl-2-phenyltriazole-4-carboxylate

Request More Details | [4-[(Z)-1-cyano-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl] 5-methyl-2-phenyltriazole-4-carboxylate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments